UCSF

ZINC48545831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 5.14 -50.62 2 5 1 54 266.365 4
Mid Mid (pH 6-8) 0.93 2.95 -14.17 1 5 0 53 265.357 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )